Monomers

Ethyl vinyl ketone

Identifiers

IUPAC name
pent-1-en-3-one
InchI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
InchI Key
JLIDVCMBCGBIEY-UHFFFAOYSA-N
SMILES
CCC(=O)C=C
Canonical SMILES
CCC(=O)C=C
Isomeric SMILES
CCC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -2.1518    0.4093    0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.4537   -0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2712    0.1435    0.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2977    1.2220    0.8577 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5450   -0.4581   -0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6873    0.0920    0.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7376    1.1280    1.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9342   -0.1987    0.8283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6365    0.9446   -0.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1380   -0.6390   -1.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0973   -1.4294    0.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5197   -1.3788   -0.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212   -0.3909   -0.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7821    1.0091    0.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  5 12  1  0
  6 13  1  0
  6 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers